# generated using pymatgen
data_NbAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65267219
_cell_length_b   8.69291966
_cell_length_c   48.68035208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl3
_chemical_formula_sum   'Nb24 Al72'
_cell_volume   3238.41488617
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nb  Nb1  1  0.508039  0.573431  0.328785  1
  Nb  Nb2  1  0.508039  0.173435  0.293071  1
  Nb  Nb3  1  0.008039  0.273432  0.346642  1
  Nb  Nb4  1  0.008039  0.873434  0.310928  1
  Nb  Nb5  1  0.508039  0.373431  0.400214  1
  Nb  Nb6  1  0.508039  0.973433  0.364499  1
  Nb  Nb7  1  0.008039  0.073431  0.418071  1
  Nb  Nb8  1  0.008039  0.673431  0.382356  1
  Nb  Nb9  1  0.508039  0.173429  0.471642  1
  Nb  Nb10  1  0.508039  0.773430  0.435928  1
  Nb  Nb11  1  0.008039  0.873428  0.489500  1
  Nb  Nb12  1  0.008039  0.473430  0.453785  1
  Nb  Nb13  1  0.508039  0.973427  0.543071  1
  Nb  Nb14  1  0.508039  0.573429  0.507357  1
  Nb  Nb15  1  1.008039  0.673426  0.560928  1
  Nb  Nb16  1  1.008039  0.273428  0.525214  1
  Nb  Nb17  1  0.508039  0.773426  0.614500  1
  Nb  Nb18  1  0.508039  0.373426  0.578786  1
  Nb  Nb19  1  1.008039  0.473423  0.632357  1
  Nb  Nb20  1  1.008039  0.073426  0.596643  1
  Nb  Nb21  1  0.508039  0.573423  0.685929  1
  Nb  Nb22  1  0.508039  0.173424  0.650215  1
  Nb  Nb23  1  1.008039  0.273422  0.703786  1
  Nb  Nb24  1  1.008039  0.873425  0.668072  1
  Al  Al25  1  0.508039  0.273910  0.346347  1
  Al  Al26  1  0.508039  0.880367  0.309030  1
  Al  Al27  1  0.758041  0.673435  0.293071  1
  Al  Al28  1  0.758040  0.073431  0.328785  1
  Al  Al29  1  0.758036  0.373434  0.310927  1
  Al  Al30  1  0.758036  0.773432  0.346642  1
  Al  Al31  1  1.008039  0.574724  0.328430  1
  Al  Al32  1  0.008039  0.137350  0.294010  1
  Al  Al33  1  0.258043  0.373434  0.310927  1
  Al  Al34  1  0.258042  0.773432  0.346642  1
  Al  Al35  1  0.258037  0.673435  0.293071  1
  Al  Al36  1  0.258039  0.073431  0.328785  1
  Al  Al37  1  0.508039  0.073472  0.418084  1
  Al  Al38  1  0.508039  0.673499  0.382200  1
  Al  Al39  1  0.758043  0.473433  0.364499  1
  Al  Al40  1  0.758041  0.873430  0.400214  1
  Al  Al41  1  0.758038  0.173431  0.382357  1
  Al  Al42  1  0.758036  0.573431  0.418071  1
  Al  Al43  1  1.008039  0.373502  0.400193  1
  Al  Al44  1  1.008039  0.973195  0.364551  1
  Al  Al45  1  0.258041  0.173431  0.382357  1
  Al  Al46  1  0.258043  0.573431  0.418071  1
  Al  Al47  1  0.258036  0.473433  0.364499  1
  Al  Al48  1  0.258037  0.873430  0.400214  1
  Al  Al49  1  0.508039  0.873431  0.489502  1
  Al  Al50  1  0.508039  0.473451  0.453787  1
  Al  Al51  1  0.758042  0.273430  0.435928  1
  Al  Al52  1  0.758042  0.673429  0.471642  1
  Al  Al53  1  0.758037  0.973430  0.453785  1
  Al  Al54  1  0.758037  0.373428  0.489500  1
  Al  Al55  1  1.008039  0.173429  0.471642  1
  Al  Al56  1  1.008039  0.773433  0.435934  1
  Al  Al57  1  0.258041  0.973430  0.453785  1
  Al  Al58  1  0.258042  0.373428  0.489500  1
  Al  Al59  1  0.258037  0.273430  0.435928  1
  Al  Al60  1  0.258037  0.673429  0.471642  1
  Al  Al61  1  0.508039  0.673424  0.560923  1
  Al  Al62  1  0.508039  0.273428  0.525215  1
  Al  Al63  1  0.758042  0.073428  0.507357  1
  Al  Al64  1  0.758041  0.473427  0.543071  1
  Al  Al65  1  0.758037  0.773428  0.525214  1
  Al  Al66  1  0.758037  0.173426  0.560928  1
  Al  Al67  1  1.008039  0.973406  0.543070  1
  Al  Al68  1  1.008039  0.573426  0.507354  1
  Al  Al69  1  0.258042  0.773428  0.525214  1
  Al  Al70  1  0.258042  0.173426  0.560928  1
  Al  Al71  1  0.258037  0.073428  0.507357  1
  Al  Al72  1  0.258037  0.473427  0.543071  1
  Al  Al73  1  0.508039  0.473662  0.632306  1
  Al  Al74  1  0.508039  0.073355  0.596664  1
  Al  Al75  1  0.758043  0.873426  0.578786  1
  Al  Al76  1  0.758041  0.273425  0.614500  1
  Al  Al77  1  0.758037  0.573426  0.596643  1
  Al  Al78  1  0.758036  0.973423  0.632357  1
  Al  Al79  1  1.008039  0.773358  0.614657  1
  Al  Al80  1  0.008039  0.373385  0.578773  1
  Al  Al81  1  0.258041  0.573426  0.596643  1
  Al  Al82  1  0.258043  0.973423  0.632357  1
  Al  Al83  1  0.258036  0.873426  0.578786  1
  Al  Al84  1  0.258038  0.273425  0.614500  1
  Al  Al85  1  0.508039  0.309507  0.702846  1
  Al  Al86  1  0.508039  0.872133  0.668426  1
  Al  Al87  1  0.758042  0.673424  0.650215  1
  Al  Al88  1  0.758043  0.073422  0.685929  1
  Al  Al89  1  0.758039  0.373425  0.668072  1
  Al  Al90  1  0.758037  0.773422  0.703786  1
  Al  Al91  1  0.008039  0.566490  0.687827  1
  Al  Al92  1  0.008039  0.172947  0.650510  1
  Al  Al93  1  0.258040  0.373425  0.668072  1
  Al  Al94  1  0.258041  0.773422  0.703786  1
  Al  Al95  1  0.258036  0.673424  0.650215  1
  Al  Al96  1  0.258036  0.073422  0.685929  1
